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Chemical ID: 6319199

Cc1ccccc1C(=O)Nc2c(c3c(s2)CC(CC3)C(C)(C)C)C(=O)NCCc4ccccc4

Chemical ID:

6319199

Name [?]:

2-(2-methylbenzoyl)amino-N-phenethyl-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide

SMILES [?]:

Cc1ccccc1C(=O)Nc2c(c3c(s2)CC(CC3)C(C)(C)C)C(=O)NCCc4ccccc4

InChi [?]:

InChI=1/C29H34N2O2S/c1-19-10-8-9-13-22(19)26(32)31-28-25(27(33)30-17-16-20-11-6-5-7-12-20)23-15-14-21(29(2,3)4)18-24(23)34-28/h5-13,21H,14-18H2,1-4H3,(H,30,33)(H,31,32)

InChi Info:

AuxInfo=1/1/N:1,21,22,23,32,31,33,4,5,3,30,34,6,18,19,28,27,16,2,29,17,7,13,14,12,8,24,11,20,26,10,9,25,15/E:(2,3,4)(6,7)(11,12)/rA:34cCCCCCCCCONCCCCSCCCCCCCCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s14;s16;s17;s13s18;s17;s20;s20;s20;s12;d24;s24;s26;s27;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₃₄N₂O₂S
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	15.581
Area:	741.023
Solvation:	-2.94454
Coulombic:	-47.3212

Bond Count [?]

All:	37
Single:	27
Double:	10
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	474.659
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	7.04
LogP (Chemaxon):	7.05

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value